CAS No.: 73250-68-7 — Mefenacet (苯噻草胺)

1. Primary Information

English name:	Mefenacet
CAS No.:	73250-68-7
Molecular formula:	C₁₆H₁₄N₂O₂S
Molecular weight:	298.4 g/mol
SMILES:	CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
Structural class:
Other identifiers:	2-(2-benzothiazolyl-oxy)-N-methyl-N-phenylacetamide mefenacet

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in ethyl acetate	80	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in ethyl acetate	208	2-8℃	in stock	-
Kehua Intelligence	50mg	98%	400	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 37 0 0 0 0 0 0 0999 V2000 3.1609 1.9338 0.2420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 0.8760 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8032 1.4369 0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 -0.7566 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 -0.5513 -0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -0.3373 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 0.2219 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -0.2561 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 0.7954 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -0.4880 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 -2.1893 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 0.9010 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -1.2025 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0278 0.6566 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 1.0218 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7834 -1.5818 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 1.3048 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2799 -0.7987 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 -0.0779 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -1.3637 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6163 0.4550 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0023 -0.9269 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 -0.7609 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -2.6761 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -2.6379 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 -2.3650 -0.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 1.5625 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -2.1749 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 2.0229 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -2.5904 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 2.2716 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0571 -1.4589 0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 0.0754 -0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -2.2069 -0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6560 0.7677 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide

4.2 InChI

InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)